>compound Nicotinamide_Nicotinamide
#instrument UPLC Q-Tof Premier, Waters
>formula C6H6N2O
#smiles NC(=O)c(c1)cncc1
#RECORD LC-ESI-QTOF_train_data/PR100181.txt;LC-ESI-QTOF_train_data/PR100182.txt
>charge 1
>ionization [M+H]+
>parentmass 123.05581

>collision 5-60
78.0355 186.7
80.0508 794.1
96.0458 113.1
123.0558 2151.0

>collision 30
78.0331 82.98
79.0411 14.7
80.0494 210.1
96.046 22.37
123.0558 53.28

